* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    135    212     396
    1     0 S   NP   _N1_     1    28.74290    94.25513   -22.86205
    2     1 S   H    _HN1     2     1.02960    84.43963    28.07281
    3     1 S   H    _H1_     3     1.02837    26.97946   175.23803
    4     1 S   H    _H2_     4     1.02780   102.35484   -79.51142
    5     1 S   CT   _CA1     5     1.50116   134.37684   141.31168
    6     5 S   HC   _HA1     6     1.09577   105.22864    74.86885
    7     5 S   CO3  _C1_     7     1.53782   112.39353   -45.34029
    8     7 S   O2Z  _O11     8     1.26360   114.99935   -43.96542
    9     7 S   O2Z  _O12     9     1.26239   114.91672   135.21950
   10     5 S   CT   _CB1    10     1.53100   107.43597  -167.22826
   11    10 S   HC   HB11    11     1.09827   109.31662   -50.91196
   12    10 S   HC   HB12    12     1.09820   110.42763    65.63438
   13    10 S   CT   _CG1    13     1.53013   112.67374  -172.01529
   14    13 S   HC   HG11    14     1.09598   110.45665   -64.21666
   15    13 S   HC   HG12    15     1.09656   109.96258    55.00206
   16    13 S   C    _CD1    16     1.51818   112.33190   175.35185
   17    16 S   O    _OE1    17     1.22724   123.27890    -1.10853
   18    16 S   N    _N2_    18     1.38635   111.64437   179.05436
   19    18 S   H    _HN2    19     1.01589   119.01575     1.16062
   20    18 S   CT1  _CA2    20     1.46128   123.35352   179.52605
   21    20 S   HC   _HA2    21     1.09756   109.41951    -6.85867
   22    20 S   C    _C2_    22     1.53386   108.28766  -122.28014
   23    22 S   O    _O2_    23     1.23014   122.30517  -143.16566
   24    20 S   CT   _CB2    32     1.53256   111.66403   115.14088
   25    24 S   HC   HB21    33     1.09595   110.42382    55.03008
   26    24 S   HC   HB22    34     1.09484   109.97705   173.52443
   27    22 S   N    _N3_    24     1.38524   113.32656    44.21037
   28    27 S   H    _HN3    25     1.01506   118.99883    -0.60587
   29    24 S   S    _SG2    35     1.82876   111.57677   -66.27103
   30    27 S   CT   _CA3    26     1.45430   123.27004   174.50727
   31    30 S   HC   HA31    27     1.09533   109.05874    28.20024
   32    30 S   HC   HA32    28     1.09489   107.18326   145.22143
   33    29 S   CA   _C18    36     1.80479    98.87654  -173.07794
   34    30 S   CO3  _C3_    29     1.52960   113.18575   -95.10625
   35    34 S   O2Z  _O31    30     1.26399   115.46581   -42.86421
   36    34 S   O2Z  _O32    31     1.26364   114.94502   138.03397
   37    33 S   CA   _C13    37     1.41971   119.96170    93.41791
   38    37 S   CA   _C14    38     1.40829   118.94494   179.74512
   39    38 S   HA   _H18    39     1.08931   119.65151   179.90309
   40    37 S   CA   _C11    46     1.47144   122.97322    -0.49138
   41    38 S   CA   _C15    40     1.39314   120.82740    -0.33862
   42    41 S   Cl   Cl2_    41     1.72195   119.74666  -179.94405
   43    40 S   CA   _C10    47     1.38372   120.95225   -95.75766
   44    43 S   HA   _H15    48     1.08680   121.27108     0.02798
   45    41 S   CA   _C16    42     1.39012   120.46822    -0.08393
   46    45 S   HA   _H19    43     1.08781   119.97548  -179.74436
   47    43 S   NB   _N6_    49     1.34778   124.49212   179.72804
   48    33 S   CA   _C17    44     1.41099   120.79368   -87.56303
   49    48 S   Cl   Cl1_    45     1.73386   122.56780     0.11364
   50    47 S   CQ   _C9_    50     1.34950   117.67672     0.35054
   51    50 S   NB   _N7_    51     1.35466   121.57852     0.80259
   52    50 S   NE   _N5_    56     1.40172   119.20023  -179.77619
   53    40 S   CA   _C12    52     1.39115   124.25594    84.46568
   54    52 S   CT   _C6_    57     1.46433   117.58788   166.23147
   55    54 S   HC   _H9_    58     1.09657   111.57438    42.31487
   56    54 S   HC   _H10    59     1.09735   109.29438   -76.52920
   57    53 S   NE   _N8_    53     1.39243   120.94737     2.60970
   58    57 S   H    _H16    54     1.01178   119.01164   -32.19540
   59    57 S   H    _H17    55     1.01241   116.41528   178.53460
   60    54 S   CT   _C5_    60     1.52540   111.32424   161.83147
   61    60 S   HC   _H7_    61     1.09497   110.64590   170.72839
   62    60 S   HC   _H8_    62     1.09613   111.68411   -66.98962
   63    60 S   NP   _N4_    63     1.50934   109.69754    52.04904
   64    63 S   H    _H6_    64     1.02945   107.72233    57.17378
   65    63 S   CT   _C8_    65     1.50927   110.49610   -60.22031
   66    65 S   HC   _H13    66     1.09613   107.46605   -61.38897
   67    65 S   HC   _H14    67     1.09497   107.69784  -179.30058
   68    63 S   CT   _C4_    71     1.50222   111.95130   174.25977
   69    68 S   HC   _H3_    72     1.09328   108.70219    62.35817
   70    68 S   HC   _H4_    73     1.09310   108.03239  -177.06135
   71    68 S   HC   _H5_    74     1.09311   108.03044   -58.22029
   72    52 S   CT   _C7_    68     1.46468   117.52231    15.65462
   73    72 S   HC   _H11    69     1.09738   109.27727    76.55353
   74    72 S   HC   _H12    70     1.09654   111.61230   -42.28648
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  14   9   4  11   5   3   7   3   3   2   6   1
   1  12   7  14   3  12   6   5   2   1   1  12   5   4  11   8
   9   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    48    49    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    45    46    48    49    40    43    53  
   35    36  
   36  
    0  
   38    39    41    42    45    48    49    40    43    44    47    51    53    57  
   39    41    42    45    46    48    40    43    53  
   41    42    45    40  
   43    44    47    50    51    53    57    58    59    41    48  
   42    45    46    48    49  
   45    46    48  
   44    47    50    51    53    57    52  
   47    50    53  
   46    48    49  
   48    49  
   50    51    53    52    54    72  
   49  
    0  
   51    53    57    52    54    55    56    60    65    72    73    74  
   53    57    58    59    52    54    72  
   54    55    56    60    61    62    63    65    66    67    72    73    74    53  
   57    58    59  
   55    56    60    61    62    63    64    65    72    73    74    68  
   56    60    61    62    63    72  
   60    61    62    63    72  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    72    68    69    70    71  
   62    63    64    65    68  
   63    64    65    68  
   64    65    66    67    72    73    74    68    69    70    71  
   65    66    67    72    68    69    70    71  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.5500   0.0700  -0.492000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   48   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.3000   0.1700  -0.620000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700   0.864000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   58   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    48   469.000  1.400
   37    38   469.000  1.400
   37    40   375.000  1.464
   38    39   367.000  1.080
   38    41   469.000  1.400
   41    42   300.000  1.725
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   300.000  1.725
   40    43   469.000  1.400
   40    53   469.000  1.400
   43    44   367.000  1.080
   43    47   483.000  1.339
   47    50   502.000  1.324
   50    51   502.000  1.324
   50    52   410.000  1.375
   51    53   483.000  1.339
   53    57   481.000  1.340
   57    58   434.000  1.010
   57    59   434.000  1.010
   52    54   382.000  1.448
   52    72   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   367.000  1.471
   63    64   434.000  1.010
   63    65   367.000  1.471
   63    68   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    60.00000  122.76000
   33    48    45    63.00000  120.00000
   33    48    49    75.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    41    63.00000  120.00000
   37    40    43    60.00000  122.76000
   37    40    53    60.00000  122.76000
   38    41    42    75.00000  120.00000
   38    41    45    63.00000  120.00000
   41    38    39    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    75.00000  120.00000
   45    48    49    75.00000  120.00000
   48    33    37    63.00000  120.00000
   48    45    46    35.00000  120.00000
   40    37    38    60.00000  122.76000
   40    43    44    35.00000  120.00000
   40    43    47    70.00000  124.00000
   40    53    51    70.00000  124.00000
   40    53    57    70.00000  120.10000
   43    47    50    70.00000  118.60000
   47    43    44    35.00000  116.00000
   47    50    51    70.00000  129.10000
   47    50    52    85.00000  116.09700
   50    51    53    70.00000  118.60000
   50    52    54    50.00000  123.00000
   50    52    72    50.00000  123.00000
   51    53    57    80.00000  117.25000
   53    40    43    63.00000  120.00000
   53    57    58    35.00000  113.50000
   53    57    59    35.00000  113.50000
   59    57    58    35.00000  109.00000
   52    50    51    85.00000  116.09700
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    60    80.00000  111.61500
   52    72    65    80.00000  111.61500
   52    72    73    35.00000  109.50000
   52    72    74    35.00000  109.50000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    80.00000  111.20000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    63    64    35.00000  109.50000
   60    63    65    75.00000  113.01200
   60    63    68    75.00000  113.01200
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    72    80.00000  111.20000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   65    63    64    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   67    65    66    33.00000  107.80000
   72    52    54    50.00000  115.00000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   74    72    73    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    48   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    48    45   3.62500 -1.0 2.0
   29    33    48    49   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    40    43  -0.19450  1.0 1.0
   33    37    40    43   0.63300 -1.0 2.0
   33    37    40    43   0.07450  1.0 3.0
   33    37    40    53  -0.19450  1.0 1.0
   33    37    40    53   0.63300 -1.0 2.0
   33    37    40    53   0.07450  1.0 3.0
   37    33    48    45   3.62500 -1.0 2.0
   37    33    48    49   3.62500 -1.0 2.0
   37    38    41    42   3.62500 -1.0 2.0
   37    38   -41    45   3.62500 -1.0 2.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    47   3.62500 -1.0 2.0
   37    40    53    51   3.62500 -1.0 2.0
   37    40    53    57   3.62500 -1.0 2.0
   38    37    40    43  -0.19450  1.0 1.0
   38    37    40    43   0.63300 -1.0 2.0
   38    37    40    43   0.07450  1.0 3.0
   38    37    40    53  -0.19450  1.0 1.0
   38    37    40    53   0.63300 -1.0 2.0
   38    37    40    53   0.07450  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   39    38    41    42   3.62500 -1.0 2.0
   39    38    41    45   3.62500 -1.0 2.0
   41    45   -48    33   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   46    45    48    33   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    40   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    41   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   40    53    57    58   1.00000 -1.0 2.0
   40    53    57    59   1.00000 -1.0 2.0
   43    40    53    51   3.62500 -1.0 2.0
   43    40    53    57   3.62500 -1.0 2.0
   43    47   -50    51   3.62500 -1.0 2.0
   43    47    50    52   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    51    53   3.62500 -1.0 2.0
   47    50    52    54  -1.10000  1.0 1.0
   47    50    52    54   1.25000 -1.0 2.0
   47    50    52    72  -1.10000  1.0 1.0
   47    50    52    72   1.25000 -1.0 2.0
   50    51   -53    40   3.62500 -1.0 2.0
   50    51    53    57   3.62500 -1.0 2.0
   50    52    54    55   0.00000  1.0 1.0
   50    52    54    56   0.00000  1.0 1.0
   50    52    54    60   0.92500  1.0 1.0
   50    52    54    60   0.12150 -1.0 2.0
   50    52    54    60  -0.25000  1.0 3.0
   50    52    72    65   0.92500  1.0 1.0
   50    52    72    65   0.12150 -1.0 2.0
   50    52    72    65  -0.25000  1.0 3.0
   50    52    72    73   0.00000  1.0 1.0
   50    52    72    74   0.00000  1.0 1.0
   51    50    52    54  -1.10000  1.0 1.0
   51    50    52    54   1.25000 -1.0 2.0
   51    50    52    72  -1.10000  1.0 1.0
   51    50    52    72   1.25000 -1.0 2.0
   51    53    57    58   1.75000 -1.0 2.0
   51    53    57    59   1.75000 -1.0 2.0
   53    40    43    44   3.62500 -1.0 2.0
   53    40   -43    47   3.62500 -1.0 2.0
   52    50    51    53   3.62500 -1.0 2.0
   52    54    60    61   0.22950  1.0 3.0
   52    54    60    62   0.22950  1.0 3.0
   52    54    60    63   2.45700  1.0 1.0
   52    54    60    63   1.17300 -1.0 2.0
   54    52    72    65   0.00000  1.0 1.0
   54    52    72    73   0.00000  1.0 1.0
   54    52    72    74   0.00000  1.0 1.0
   54    60    63    64   0.17350  1.0 3.0
   54    60   -63    65   0.47100  1.0 1.0
   54    60    63    68   0.47100  1.0 1.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.19200  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   0.19200  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    65    72   0.47100  1.0 1.0
   60    63    68    69   0.15000  1.0 3.0
   60    63    68    70   0.15000  1.0 3.0
   60    63    68    71   0.15000  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    68   0.15000  1.0 3.0
   62    60    63    64   0.13050  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    68   0.15000  1.0 3.0
   63    65   -72    52   2.45700  1.0 1.0
   63    65   -72    52   1.17300 -1.0 2.0
   63    65    72    73   0.19200  1.0 3.0
   63    65    72    74   0.19200  1.0 3.0
   64    63    65    66   0.13050  1.0 3.0
   64    63    65    67   0.13050  1.0 3.0
   64    63    65    72   0.17350  1.0 3.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    70   0.13050  1.0 3.0
   64    63    68    71   0.13050  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   66    65    72    52   0.22950  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   67    65    72    52   0.22950  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   72    52    54    55   0.00000  1.0 1.0
   72    52    54    56   0.00000  1.0 1.0
   72    52   -54    60   0.00000  1.0 1.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    63    65    72   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    48    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   45    42    41    38   4.00000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   45    49    48    33   4.00000 -1.0 2.0
   43    53    40    37   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   51    52    50    47   4.00000 -1.0 2.0
   51    57    53    40   4.00000 -1.0 2.0
   59    53    57    58   1.00000 -1.0 2.0
   72    50    52    54   1.00000 -1.0 2.0
END
